SCHEMBL7400810

SCHEMBL7400810

O=C1CC(C(F)(F)F)=NN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 2/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL853994 0.73 GAA (0.46) ALDH1A1SMN1; SMN2CES2KDM4EGAA
SCHEMBL855206 0.73 GAA (0.46) ALDH1A1SMN1; SMN2CES2KDM4EGAA
SCHEMBL853230 0.71 GAA (0.42) ALDH1A1SMN1; SMN2CES2KDM4EGAA
SCHEMBL1461002 0.66 GAA (0.37) ALDH1A1KDM4EGAATHRBRECQL
SCHEMBL14208206 0.63 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4EGAATHRB
SCHEMBL9379891 0.62 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19SMN1; SMN2CES2
SCHEMBL9379453 0.61 CYP2B6 (0.44) ALDH1A1
SCHEMBL10483647 0.61 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP2C19SMN1; SMN2CES2
SCHEMBL10720261 0.59 ALDH1A1 (0.36) ALDH1A1CYP2C9CYP2C19SMN1; SMN2CES2
SCHEMBL5234963 0.57 GAA (0.40) ALDH1A1SMN1; SMN2KDM4EGAATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071188-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, LIGHT SENSOR, AND COMPOUND 富士フイルム株式会社 2024-04-04 WO disclosed
US-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed